ADSORPSI ATOM GERMANIUM PADA UJUNG TERBUKA SINGLE WALLED CARBON NANOTUBE (SWCNT) MENGGUNAKAN METODA SEMIEMPIRIS AM1

dwi, yusmilia (2017) ADSORPSI ATOM GERMANIUM PADA UJUNG TERBUKA SINGLE WALLED CARBON NANOTUBE (SWCNT) MENGGUNAKAN METODA SEMIEMPIRIS AM1. Diploma thesis, Universitas Andalas.

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Abstract

The research about interaction of the open ended SWCNT (8,0) and (4,4) with Ge atoms has been done. The research used AM1 method from hyperchem package. 1-8 Ge atoms were dropped with two position: on top and bridge. The result showed that Ge atoms were adsorbed and desorbed chemically and physically on SWCNT. Ge atoms can decrease ΔE SWCNT (8,0) and decrease/increase band gap of SWCNT (4,4). the value of ΔE SWCNT (8,0) and SWCNT (4,4) are 2,02078 – 3,28127 eV and 3,45508 – 4,69140 eV respectively. Minimum ΔE was obtained on dropped 7 Ge atoms on atom C with position 1,2,3,4,5,6,7 is 2,02078 eV. Ge atoms was droped on that position is very potential for increasing electrical conductivity of SWCNT. Ge atoms can increase bonding energy (BE) and adsorption energy (Eads) with increasing of number Ge atoms. But holding capacity SWCNT Ge atoms decreases with increasing number of Ge atoms are dropped. Keywords: Single Walled Nanotube (SWCNT), Ge atoms, AM1

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